Self-energy corrections inwithin a modelscheme
- 15 December 1999
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 60 (23) , 15699-15704
- https://doi.org/10.1103/physrevb.60.15699
Abstract
We discuss the electronic properties of in its monoclinic, insulating phase, by comparing the results of quasiparticle band structure calculations obtained within a model scheme with those of both LDA calculations and available experiments. Our calculations are based on the full-potential-linearized-augmented-plane-wave method. We obtain the correct energy gap for this compound and a density of states consistent with photoemission results. Moreover, we show that model calculations reproduce satisfactorily the imaginary part of the dielectric constant as obtained by optical and EELS measurements.
Keywords
This publication has 34 references indexed in Scilit:
- The two components of the crystallographic transition in VO2Published by Elsevier ,2003
- : Peierls or Mott-Hubbard? A view from band theoryPhysical Review Letters, 1994
- Soft-x-ray-absorption studies of the electronic-structure changes through thephase transitionPhysical Review B, 1991
- Vacuum-ultraviolet reflectance and photoemission study of the metal-insulator phase transitions in , , andPhysical Review B, 1990
- NMR Studies of VO2 and V1-xWxO2Journal of the Physics Society Japan, 1983
- Electronic structure and lattice instability of metallic VPhysical Review B, 1977
- Electron spin resonance in V1-xCrxO2Journal of Physics C: Solid State Physics, 1975
- Dimerization of a linear Heisenberg chain in the insulating phases ofPhysical Review B, 1974
- X-ray diffraction study of metallic VPhysical Review B, 1974
- Raman Spectrum of Semiconducting and Metallic VPhysical Review Letters, 1971